SCHEMBL2416231

SCHEMBL2416231

COc1cccc(-c2ncc(N)nc2N)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 2/20 0.48
PTPN11 Q06124 13/20 0.46
AMY1A P0DUB6 4/20 0.43
MAPK1 P28482 2/20 0.41
MAPK3 P27361 1/20 0.41
KCNH2 Q12809 1/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
CYP2D6 P10635 1/20 0.39
MAOA P21397 1/20 0.39
ADRA1A P35348 1/20 0.39
SCN4A P35499 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
PDE3A Q14432 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
SCN3A Q9NY46 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL976695 0.80 SCN2A (0.62) SCN2APTPN11MAPK1MAPK3KCNH2
SCHEMBL2416618 0.80 SCN2A (0.67) SCN2APTPN11HSP90AA1HSP90AB1SCN10A
SCHEMBL2415308 0.74 SCN2A (0.48) SCN2APTPN11MAPK1HSP90AA1HSP90AB1
SCHEMBL2421429 0.73 SCN2A (0.57) SCN2APTPN11MAPK1CYP2D6MAOA
SCHEMBL17963909 0.72 PLAU (0.46) ADRA1A
SCHEMBL5512633 0.72 SCN2A (0.59) SCN2APTPN11MAPK1MAPK3KCNH2
SCHEMBL2415584 0.71 SCN2A (0.51) SCN2APTPN11MAPK1HSP90AA1HSP90AB1
SCHEMBL3072112 0.70 ALOX5AP (0.49) SCN2ASCN9ASCN10A
SCHEMBL2413873 0.69 SCN2A (0.44) SCN2AMAPK1
SCHEMBL20788774 0.69 PTPN11 (0.46) SCN2APTPN11MAPK1MAPK3KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945630-B1 PYRAZINE DERIVATIVES AS SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN PFIZER LTD (GB) 2011-09-21 EP disclosed
US-7572797-B2 Amino substituted pyrazine derivatives for the treatment of pain PFIZER INC. (US) 2009-08-11 US disclosed
US-7572797-B2 Amino substituted pyrazine derivatives for the treatment of pain PFIZER INC. (US) 2009-08-11 US disclosed
US-7572797-B2 Amino substituted pyrazine derivatives for the treatment of pain PFIZER INC. (US) 2009-08-11 US disclosed
EP-1945630-A2 PYRAZINE DERIVATIVES AS SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN Pfizer Limited (GB) 2008-07-23 EP disclosed
WO-2007052123-A2 PYRAZINE DERIVATIVES AS SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN PFIZER LIMITED (GB) 2007-05-10 WO disclosed
WO-2007052123-A2 PYRAZINE DERIVATIVES AS SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN PFIZER LIMITED (GB) 2007-05-10 WO disclosed
US-20070105872-A1 N-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-3-methylisoxazole-4-carboxamide; N-[6-amino-5-(2,3-dichloro-5-methoxyphenyl)pyrazin-2-yl]-1-methyl-1H-pyrazole-5-carboxamide PFIZER LIMITED 2007-05-10 US disclosed
US-20070105872-A1 N-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-3-methylisoxazole-4-carboxamide; N-[6-amino-5-(2,3-dichloro-5-methoxyphenyl)pyrazin-2-yl]-1-methyl-1H-pyrazole-5-carboxamide PFIZER LIMITED 2007-05-10 US disclosed
US-20070105872-A1 N-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-3-methylisoxazole-4-carboxamide; N-[6-amino-5-(2,3-dichloro-5-methoxyphenyl)pyrazin-2-yl]-1-methyl-1H-pyrazole-5-carboxamide PFIZER LIMITED 2007-05-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070105872-A1 N-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-3-methylisoxazole-4-carboxamide; N-[6-amino-5-(2,3-dichloro-5-methoxyphenyl)pyrazin-2-yl]-1-methyl-1H-pyrazole-5-carboxamide P2RX5, P2RX3, AADAC SCN2A 44/4885PTPN11 3643/4885AMY1A 2568/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.